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arXiv:2610.21782

Quantum-compatible Riemannian conjugate gradient for ground-state preparation

Andres Arcia-Lopez, Marek Gluza, Yudai Suzuki, Cyrus Mostajeran

quant-phmath.OCSubmitted Oct 15, 2026• Announced Oct 16, 2026• 0 citations
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Abstract

Riemannian optimization provides a natural geometric framework for designing quantum algorithms for ground-state preparation, most notably through quantum imaginary-time evolution. However, existing geometry-aware approaches primarily employ steepest-descent updates, leaving more advanced methods from classical Riemannian optimization largely unexplored. In this work, we introduce quantum conjugate gradient descent (QCGD), a quantum-compatible implementation of Riemannian conjugate gradient that combines the steepest descent direction with information retained from previous search directions. In our numerical experiments, the proposed approach achieves faster convergence per iteration than the baseline double-bracket quantum imaginary-time evolution (DB-QITE) algorithm, and we quantify the associated circuit cost with gate counts produced by Qrisp. This improvement, however, comes at the cost of increased circuit depth for each update step, revealing a trade-off between convergence rate and implementation complexity. Nevertheless, since the circuit depth for those algorithms grows exponentially with the number of iterations, the proposed method may offer practical advantages, particularly in the early fault-tolerant regime.

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Riemannian optimization provides a natural geometric framework for designing quantum algorithms for ground-state preparation, most notably through quantum imaginary-time evolution. However, existing geometry-aware approaches primarily employ steepest-descent updates, leaving more advanced methods from classical Riemannian optimization largely unexplored. In this work, we introduce quantum conjugate gradient descent (QCGD), a quantum-compatible implementation of Riemannian conjugate gradient that combines the steepest descent direction with information retained from previous search directions. In our numerical experiments, the proposed approach achieves faster convergence per iteration than the baseline double-bracket quantum imaginary-time evolution (DB-QITE) algorithm, and we quantify the associated circuit cost with gate counts produced by Qrisp. This improvement, however, comes at the cost of increased circuit depth for each update step, revealing a trade-off between convergence rate and implementation complexity. Nevertheless, since the circuit depth for those algorithms grows exponentially with the number of iterations, the proposed method may offer practical advantages, particularly in the early fault-tolerant regime.
The Variational Quantum Eigensolver (VQE) is one of the most promising algorithms for current quantum devices. It employs a classical optimizer to iteratively update the parameters of a variational quantum circuit in order to search for the ground state of a given Hamiltonian. The efficacy of VQEs largely depends on the optimizer employed. Recent studies suggest that Quantum Natural Gradient Descent (QNG) can achieve faster convergence than vanilla gradient descent (VG), but at the cost of additional quantum resources to estimate Fubini-Study metric tensor in each optimization step. The Fubini-Study metric tensor used in QNG is related to the entire quantum state space and does not incorporate information about the target Hamiltonian. To take advantage of the structure of the Hamiltonian and address the limitation of additional computational cost in QNG, we propose Hamiltonian-aware Quantum Natural Gradient Descent (H-QNG). In H-QNG, we propose to use the Riemannian pullback metric induced from the lower-dimensional subspace spanned by the Hamiltonian terms onto the parameter space. We show that H-QNG inherits the desirable features of both approaches: the low quantum computational cost of VG and the reparameterization-invariance of QNG. We also validate its performance through numerical experiments on molecular Hamiltonians, showing that H-QNG achieves faster convergence to chemical accuracy while requiring fewer quantum computational resources.
Designing quantum circuits for ground state preparation is a fundamental task in quantum information science. However, standard Variational Quantum Algorithms (VQAs) are often constrained by limited ansatz expressivity and difficult optimization landscapes. To address these issues, we adopt a geometric perspective, formulating the problem as the minimization of an energy cost function directly over the unitary group. We establish a retraction-based Riemannian optimization framework for this setting, ensuring that all algorithmic procedures are implementable on quantum hardware. Within this framework, we unify existing randomized gradient approaches under a Riemannian Random Subspace Gradient Projection (RRSGP) method. While recent geometric approaches have predominantly focused on such first-order gradient descent techniques, efficient second-order methods remain unexplored. To bridge this gap, we derive explicit expressions for the Riemannian Hessian and show that it can be estimated directly on quantum hardware via parameter-shift rules. Building on this, we propose the Riemannian Random Subspace Newton (RRSN) method, a scalable second-order algorithm that constructs a Newton system from measurement data. Numerical simulations indicate that RRSN achieves quadratic convergence, yielding high-precision ground states in significantly fewer iterations compared to both existing first-order approaches and standard VQA baselines. Ultimately, this work provides a systematic foundation for applying a broader class of efficient Riemannian algorithms to quantum circuit design.
Gate-based quantum algorithms are typically implemented by circuits consisting of many single-qubit and multi-qubit gates operating on a quantum input state, followed by measurements of the output state. For certain quantum subroutines, such as initial state preparation and quantum Fourier transforms, explicit decompositions of the circuit in terms of single-qubit and two-qubit maximally entangling gates may exist. However, they often lead to large-depth circuits that are challenging for noisy intermediate-scale quantum (NISQ) hardware. Additionally, exact decompositions might only exist for some modular quantum circuits. Therefore, it is essential to find gate combinations that approximate these circuits to high fidelity with potentially low depth. Gradient-based optimization has been used to find such approximate decompositions. Still, these traditional optimizers often run into problems of slow convergence requiring many iterations, and performing poorly in the presence of noise, a factor that is especially relevant for NISQ hardware. Here we present iteratively preconditioned gradient descent (IPG) for optimizing quantum circuits and demonstrate performance speedups for state preparation and implementation of quantum algorithmic subroutines. IPG is a noise-resilient, higher-order algorithm that has shown promising gains in convergence speed for classical optimizations, converging locally at a linear rate for convex problems and superlinearly when the solution is unique. Specifically, we show an improvement in fidelity by a factor of 104for preparing a 4-qubit W state and a maximally entangled 5-qubit GHZ state with compared to other commonly used classical optimizers tuning the same ansatz. Such faster convergence with promise for noise-resilience could provide advantages for quantum algorithms on NISQ hardware, especially since the cost of running each iteration on a quantum computer is substantially higher than the classical optimizer step.
We investigate Riemannian gradient flows for preparing ground states of a desired Hamiltonian on a quantum device. We show that the number of steps of the corresponding Riemannian gradient descent (RGD) algorithm that prepares a ground state to a given precision depends on the structure of the Hamiltonian. Specifically, we develop an upper bound for the number of RGD steps that depends on the spectral gap of the Hamiltonian, the overlap between ground and initial state, and the target precision. In numerical experiments we study examples where we observe for a 1D Ising chain with nearest-neighbor interactions that the RGD steps needed to prepare a ground state scales linearly with the number of spins. For all-to-all couplings a quadratic scaling is obtained. To achieve efficient implementations while keeping convergence guarantees, we develop RGD approximations by randomly projecting the Riemannian gradient into polynomial-sized subspaces. We find that the speed of convergence of the randomly projected RGD critically depends on the size of the subspace the gradient is projected into. Finally, we develop efficient quantum device implementations based on Trotterization and a quantum stochastic drift-inspired protocol. We implement the resulting quantum algorithms on IBM's quantum devices and provide data for small-scale problems.
The efficient optimization of variational quantum algorithms (VQAs) is critical for their successful application in quantum computing. The Quantum Natural Gradient (QNG) method, which leverages the geometry of quantum state space, has demonstrated improved convergence compared to standard gradient descent [Quantum 4, 269 (2020)]. In this work, we introduce the Modified Conjugate Quantum Natural Gradient (CQNG), an optimization algorithm that integrates QNG with principles from the nonlinear conjugate gradient method. Unlike QNG, which employs a fixed learning rate, CQNG dynamically adjusts hyperparameters at each step, enhancing both efficiency and flexibility. Numerical simulations show that CQNG achieves faster convergence than QNG across various optimization scenarios, even when strict conjugacy conditions are not always satisfied -- hence the term ``Modified Conjugate.'' These results highlight CQNG as a promising optimization technique for improving the performance of VQAs.
Efficiently preparing approximate ground states of large, strongly correlated systems on quantum hardware is challenging, and yet, nature is innately adept at this. This has motivated the study of thermodynamically inspired approaches to ground-state preparation that aim to replicate cooling processes via imaginary-time evolution. However, synthesizing quantum circuits that efficiently implement imaginary-time evolution is itself difficult, with prior proposals generally adopting heuristic variational approaches or using deep block encodings. Here, we use the insight that quantum imaginary-time evolution is a solution of Brockett's double-bracket flow and synthesize circuits that implement double-bracket flows coherently on the quantum computer. We prove that our double-bracket quantum imaginary-time evolution (DB-QITE) algorithm inherits the cooling guarantees of imaginary-time evolution. Concretely, each step is guaranteed to (i) decrease the energy of an initial approximate ground state by an amount proportional to the energy fluctuations of the initial state and (ii) increase the fidelity with the ground state. We provide gate counts for DB-QITE through numerical simulations in qrisp that demonstrate scenarios where DB-QITE outperforms quantum phase estimation. Thus, DB-QITE provides a means to systematically improve the approximation of a ground state using shallow circuits.